SCHEMBL9915491

SCHEMBL9915491

CCCCOc1c[nH]c(C(=O)Nc2ccc(CC(=O)O)cc2)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.45
NR1H4 Q96RI1 7/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FFAR1 O14842 2/20 0.41
PLA2G4B P0C869 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9915484 0.89 MAPT (0.49) SMYD3POLBALDH1A1LMNAMEN1
SCHEMBL15279080 0.89 NR1H4 (0.47) NR1H4PTPN11PLA2G4B
SCHEMBL16748652 0.84 MEN1 (0.42) SMYD3NR1H4KDM4ELMNAMEN1
SCHEMBL14124962 0.84 NR1H4 (0.47) SMYD3NR1H4KDM4EPOLBALDH1A1
SCHEMBL9915519 0.81 MEN1 (0.44) SMYD3KDM4EALDH1A1LMNAMEN1
SCHEMBL15279079 0.80 TLR7 (0.45) NR1H4LMNAMEN1KMT2A
SCHEMBL15279003 0.78 DAO (0.43) ALDH1A1LMNA
SCHEMBL14124965 0.78 MEN1 (0.47) SMYD3KDM4EPOLBLMNAMEN1
SCHEMBL16748804 0.77 NR1H4 (0.46) NR1H4LMNAKMT2ATP53SMN1; SMN2
SCHEMBL11365287 0.74 KDM4E (0.60) NR1H4PTPN1PTPN6PTPN11KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130252935-A1 Monobactams MGAM, MGAM2, BPGM SMYD3 2617/4885NR1H4 277/4885PTPN1 3410/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM SMYD3 2617/4885NR1H4 277/4885PTPN1 3410/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM SMYD3 2617/4885NR1H4 277/4885PTPN1 3410/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.